pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.25	AttenGpKa training set	1	0	Nc1ccc(/N=[NH+]/c2ccccc2)c(N)n1,Nc1ccc(/N=N/c2ccccc2)c(N)[nH+]1,Nc1nc([NH3+])ccc1/N=N/c1ccccc1,Nc1ccc(/N=N/c2ccccc2)c([NH3+])n1	Nc1ccc(/N=N/c2ccccc2)c(N)n1	mol29591	Nc1ccc(/N=N/c2ccccc2)c(N)n1